N-(N2-(N-(N2-(N-L-Lysyl-L-threonyl)-L-arginyl)-L-alpha-glutamyl)-L-lysyl)-L-Valine
[CAS# 78228-88-3]

Identification

• Name: N-(N2-(N-(N2-(N-L-Lysyl-L-threonyl)-L-arginyl)-L-alpha-glutamyl)-L-lysyl)-L-Valine
• Synonyms: (4S)-5-[[(1S)-5-Amino-1-[[(1S)-1-Carboxy-2-Methyl-Propyl]Carbamoyl]Pentyl]Amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-5-[[(1S)-5-Amino-1-[[[(1S)-1-Carboxy-2-Methylpropyl]Amino]-Oxomethyl]Pentyl]Amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-5-Oxopentanoic Acid; (4S)-5-[[(1S)-5-Amino-1-[[(1S)-1-Carboxy-2-Methyl-Propyl]Carbamoyl]Pentyl]Amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₂H₆₁N₁₁O₁₀
• Molecular Weight: 759.90
• CAS Registry Number: 78228-88-3
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@H](O)C)CCCN=C(N)N)CCC(O)=O)(CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O
• InChI: 1S/C32H61N11O10/c1-17(2)24(31(52)53)42-29(50)20(10-5-7-15-34)39-28(49)22(12-13-23(45)46)40-27(48)21(11-8-16-38-32(36)37)41-30(51)25(18(3)44)43-26(47)19(35)9-4-6-14-33/h17-22,24-25,44H,4-16,33-35H2,1-3H3,(H,39,49)(H,40,48)(H,41,51)(H,42,50)(H,43,47)(H,45,46)(H,52,53)(H4,36,37,38)/t18-,19+,20+,21+,22+,24+,25+/m1/s1
• InChIKey: QXFXVXOBAZENRA-BXZPNGIOSA-N

Properties

• Density: 1.438g/cm³ (Cal.)